Geometry & MOs

Info

ID:

19415

PubChem CID:

563188

Reduced:

NO4C37H53 (1)

Stoich.:

AB4C37D53 (1)

Weight, g/mol:

575.397459

ΔHf, kcal/mol:

-229.96

Dipole, Da:

4.66

IP(EA), eV:

 -9.48(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13-dimethyl-17-[6-methyl-7-[(2-phenylacetyl)amino]heptan-2-yl]-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(CCCC(C)C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)CNC(=O)CC5=CC=CC=C5

DOS

IR

Vibrations